3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline

C13H7Cl2F2N3 — CID 107050001

IUPAC3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline
SMILESNc1c(Cl)ccc(Cl)c1-c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C13H7Cl2F2N3/c14-6-1-2-7(15)11(18)10(6)13-19-9-4-5(16)3-8(17)12(9)20-13/h1-4H,18H2,(H,19,20)
InChIKeyLOIDNLRGOWVEON-UHFFFAOYSA-N
MW314.12 g/mol
LogP4.40
Rot. Bonds1

About 3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline

3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline (PubChem CID 107050001) has the molecular formula C13H7Cl2F2N3 and a molecular weight of 314.12 g/mol. Its IUPAC name is 3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline
PubChem CID107050001
Molecular FormulaC13H7Cl2F2N3
Molecular Weight314.12 g/mol
Exact Mass313.00
IUPAC Name3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline
SMILESNc1c(Cl)ccc(Cl)c1-c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C13H7Cl2F2N3/c14-6-1-2-7(15)11(18)10(6)13-19-9-4-5(16)3-8(17)12(9)20-13/h1-4H,18H2,(H,19,20)
InChIKeyLOIDNLRGOWVEON-UHFFFAOYSA-N
XLogP4.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463017
2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 114560127
2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463378
4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
CID 81462567
3-(4,6-difluoro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 81448855
2-(4-tert-butylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81455041
2-(2-bromophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463555
2-(5-bromo-2-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463556
2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463007
4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile
CID 81463475
2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole
CID 103402869
3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 136710717

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline (CID 107050001) is 3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline is Nc1c(Cl)ccc(Cl)c1-c1nc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline?
The InChIKey is LOIDNLRGOWVEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2N3/c14-6-1-2-7(15)11(18)10(6)13-19-9-4-5(16)3-8(17)12(9)20-13/h1-4H,18H2,(H,19,20).
What are the key properties of 3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline?
3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline has a molecular weight of 314.12 g/mol, XLogP of 4.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 107050001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).